1-(4-methylpiperazin-1-yl)-2-[3-(propylaminomethyl)pyrrol-1-yl]ethanone

C15H26N4O — CID 66404328

IUPAC1-(4-methylpiperazin-1-yl)-2-[3-(propylaminomethyl)pyrrol-1-yl]ethanone
SMILESCCCNCc1ccn(CC(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C15H26N4O/c1-3-5-16-11-14-4-6-18(12-14)13-15(20)19-9-7-17(2)8-10-19/h4,6,12,16H,3,5,7-11,13H2,1-2H3
InChIKeyHQZVXYBMMDMCEY-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.76
Rot. Bonds6

About 1-(4-methylpiperazin-1-yl)-2-[3-(propylaminomethyl)pyrrol-1-yl]ethanone

1-(4-methylpiperazin-1-yl)-2-[3-(propylaminomethyl)pyrrol-1-yl]ethanone (PubChem CID 66404328) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[3-(propylaminomethyl)pyrrol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[3-(propylaminomethyl)pyrrol-1-yl]ethanone
PubChem CID66404328
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[3-(propylaminomethyl)pyrrol-1-yl]ethanone
SMILESCCCNCc1ccn(CC(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C15H26N4O/c1-3-5-16-11-14-4-6-18(12-14)13-15(20)19-9-7-17(2)8-10-19/h4,6,12,16H,3,5,7-11,13H2,1-2H3
InChIKeyHQZVXYBMMDMCEY-UHFFFAOYSA-N
XLogP0.76
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(methylaminomethyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone
CID 66405103
N-benzyl-2-[3-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66405734
2-[3-(1-aminoethyl)pyrrol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 79101984
2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-1-morpholin-4-ylethanone
CID 66403976
3-(benzylamino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 91054439
N-[[1-(3-ethylsulfonylpropyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66406766
ethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate
CID 66414373
2-[3-(ethylaminomethyl)pyrrol-1-yl]-N,N-dimethylacetamide
CID 66405923
2-[3-(hydroxymethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone
CID 66400366
N-[[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66404940
N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66404929
2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 66401569

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[3-(propylaminomethyl)pyrrol-1-yl]ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[3-(propylaminomethyl)pyrrol-1-yl]ethanone (CID 66404328) is 1-(4-methylpiperazin-1-yl)-2-[3-(propylaminomethyl)pyrrol-1-yl]ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[3-(propylaminomethyl)pyrrol-1-yl]ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[3-(propylaminomethyl)pyrrol-1-yl]ethanone is CCCNCc1ccn(CC(=O)N2CCN(C)CC2)c1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[3-(propylaminomethyl)pyrrol-1-yl]ethanone?
The InChIKey is HQZVXYBMMDMCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-5-16-11-14-4-6-18(12-14)13-15(20)19-9-7-17(2)8-10-19/h4,6,12,16H,3,5,7-11,13H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[3-(propylaminomethyl)pyrrol-1-yl]ethanone?
1-(4-methylpiperazin-1-yl)-2-[3-(propylaminomethyl)pyrrol-1-yl]ethanone has a molecular weight of 278.40 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[3-(propylaminomethyl)pyrrol-1-yl]ethanone is sourced from PubChem (CID 66404328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).